Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM270035
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
20.0±n/a nM
Citation
Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Heath, JA; Horne, DB; Houze, J; Kaller, MR; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; McGee, LR; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Yang, K; Yeh, W; Debenedetto, MV; Farrell, RP; Hedley, SJ; Judd, TC; Kayser, F Triazole agonists of the APJ receptor US Patent US10221162 Publication Date 3/5/2019 More Info.:
Target
Name:
Apelin receptor
Synonyms:
AGTRL1 | APJ | APJ_HUMAN | APLNR | Angiotensin receptor-like 1 | Apelin receptor | Apelin receptor (APJ) | G-protein coupled receptor APJ | G-protein coupled receptor HG11
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42664.06
Organism:
Homo sapiens (Human)
Description:
P35414
Residue:
380
Sequence:
MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
Inhibitor
Name:
BDBM270035
Synonyms:
(1S,2S)-1-(5-chloro-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide or (1R,2R)-1-(5-chloro-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide | US10058550, Example 594.0 | US10221162, Example 594.0 | US9845310, Example 594.0
Type:
Small organic molecule
Emp. Form.:
C23H24ClN7O5S
Mol. Mass.:
545.999
SMILES:
CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,wD:2.1,(-1.92,-12.55,;-1.02,-11.3,;.51,-11.47,;1.42,-10.22,;2.95,-10.38,;.79,-8.81,;-.61,-9.44,;2.2,-8.19,;.17,-7.41,;1.07,-6.16,;2.61,-6.16,;3.09,-4.7,;1.84,-3.79,;1.84,-2.25,;3.18,-1.48,;3.18,.06,;1.84,.83,;.51,.06,;.51,-1.48,;.6,-4.7,;-.87,-4.22,;-1.19,-2.71,;-.04,-1.68,;-.37,-.18,;-2.65,-2.24,;-3.8,-3.27,;-3.48,-4.77,;-2.01,-5.25,;-1.69,-6.76,;-2.84,-7.79,;1.14,-12.87,;2.67,-13.03,;3.3,-14.44,;2.39,-15.69,;3.02,-17.09,;.86,-15.53,;.23,-14.12,)|
Structure:
